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1479266-28-8 | 3-cyclopropyl-1lambda6,4-thiazepane-1,1-dione
CAS No: 1479266-28-8 Catalog No: AG01C928 MDL No:MFCD21722205
Product Description
Catalog Number:
AG01C928
Chemical Name:
3-cyclopropyl-1lambda6,4-thiazepane-1,1-dione
CAS Number:
1479266-28-8
Molecular Formula:
C8H15NO2S
Molecular Weight:
189.2752
MDL Number:
MFCD21722205
IUPAC Name:
3-cyclopropyl-1,4-thiazepane 1,1-dioxide
InChI:
InChI=1S/C8H15NO2S/c10-12(11)5-1-4-9-8(6-12)7-2-3-7/h7-9H,1-6H2
InChI Key:
OGLWZEZSFDUQRN-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCCNC(C1)C1CC1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.082g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.273g/mol
Monoisotopic Mass:
189.082g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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